Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHAT | P28329 | 3/20 | 0.56 |
| ▸ | SMPD2 | O60906 | 2/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.47 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9830937 | 1.00 | CHAT (0.56) | CHATSMPD2HDAC8HDAC6GRIK1 | |
| SCHEMBL1683795 | 0.85 | SMPD2 (0.54) | CHATSMPD2HDAC8HDAC6GRIK1 | |
| SCHEMBL1683792 | 0.85 | SMPD2 (0.54) | CHATSMPD2HDAC8HDAC6GRIK1 | |
| SCHEMBL15338325 | 0.85 | SMPD2 (0.54) | CHATSMPD2HDAC8HDAC6GRIK1 | |
| SCHEMBL23460038 | 0.81 | CHAT (0.47) | CHATSMPD2HDAC8HDAC6GRIK1 | |
| SCHEMBL1469843 | 0.81 | TLR8 (0.50) | CHATSMPD2HDAC8HDAC6MTNR1A | |
| SCHEMBL1469842 | 0.81 | TLR8 (0.50) | CHATSMPD2HDAC8HDAC6MTNR1A | |
| SCHEMBL9819962 | 0.81 | RXRA (0.46) | CHATSMPD2HDAC8HDAC6GRIK1 | |
| SCHEMBL9819969 | 0.81 | RXRA (0.46) | CHATSMPD2HDAC8HDAC6GRIK1 | |
| SCHEMBL31634320 | 0.80 | RXRA (0.49) | CHATSMPD2HDAC8HDAC6GRIK1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0161877-B1 | 1,4-DIHYDROPYRIDINE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) | 1991-05-29 | — | — | EP | disclosed |
| US-4672068-A | Antihypertensive 1,4-dihydropyridines having a conjugated ester | FUJIREBIO KABUSHIKI KAISHA (JP) | 1987-06-09 | — | — | US | disclosed |
| EP-0161877-A2 | 1,4-dihydropyridine derivatives, methods for their production and pharmaceutical compositions comprising the same | FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) | 1985-11-21 | — | — | EP | disclosed |